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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL276778
CHEMBL276778
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H25NO

Additional synonyms for CHEMBL276778 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2Cc3ccccc3CCCN(C)CCc2c1
Standard InChI InChI=1S/C20H25NO/c1-21-12-5-8-16-6-3-4-7-17(16)14-18-9-10-2 ...
Download InChI
Standard InChI Key IBGVTRNZLWEIPT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL276778

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
295.4 295.1936 3.71 1 12.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.3 4.81 2.93 2 22 0.8

Structural Alerts

There are no structural alerts for CHEMBL276778

Compound Cross References

ChemSpider ChemSpider:IBGVTRNZLWEIPT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL276778



BindingDB 50219142
PubChem 17756101
PubChem: Thomson Pharma 29213968
ZINC ZINC000028711630

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/IBGVTRNZLWEIPT-UHFFFAOYSA-N spacer
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